CID 11810914

148398-19-0

Structural Information

Molecular Formula
C25H28O3
SMILES
CC1=CC(=C(C(=C1)CC2=C(C=C(C(=C2)C)O)C)O)CC3=C(C=C(C(=C3)C)O)C
InChI
InChI=1S/C25H28O3/c1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3/h6-11,26-28H,12-13H2,1-5H3
InChIKey
GOWFRAUGTCYVPS-UHFFFAOYSA-N
Compound name
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

425
Patents

376.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.211136 193.7
[M+Na]+ 399.193078 203.2
[M-H]- 375.196584 201.0
[M+NH4]+ 394.237683 205.0
[M+K]+ 415.167018 196.5
[M+H-H2O]+ 359.201120 185.3
[M+HCOO]- 421.202061 211.4
[M+CH3COO]- 435.217711 221.0
[M+Na-2H]- 397.178526 190.5
[M]+ 376.20331142 196.3
[M]- 376.20440858 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe